SCHEMBL22993102

SCHEMBL22993102

COCc1nn(Cc2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3)cc1C(=O)NCc1c(N(N)/C=C(/C)N)ccc(OC)c1F

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ F11 P03951 10/20 0.57
▸ KLKB1 P03952 10/20 0.54

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL22993180 0.88 F11 (0.61) F11KLKB1
SCHEMBL22993477 0.87 F11 (0.70) F11KLKB1
SCHEMBL29390911 0.83 F11 (0.80) F11KLKB1
SCHEMBL22993499 0.82 F11 (0.56) F11KLKB1
SCHEMBL22993383 0.80 F11 (0.69) F11KLKB1
SCHEMBL22993482 0.78 KLKB1 (0.73) F11KLKB1
SCHEMBL22993231 0.77 F11 (0.40) F11KLKB1
SCHEMBL22993238 0.76 HDAC1 (0.46) F11KLKB1
SCHEMBL29405895 0.75 HDAC1 (0.45) F11KLKB1
SCHEMBL29407285 0.72 F11 (0.87) F11KLKB1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021028645-A1 PLASMA KALLIKREIN INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2021-02-18 — — WO disclosed
WO-2021028649-A1 PLASMA KALLIKREIN INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2021-02-18 — — WO disclosed
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